2,6-Dimethylpiperazine → 1-(3,4-Difluorophenyl)-3-[3-(3,5-dimethylpiperazin-1-yl)propyl]-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

반응식

[Br:1][CH2:2][CH2:3][CH2:4][N:5]1[S:6](=[O:22])(=[O:23])[N:7]([c:14]2[cH:15][c:16]([F:21])[c:17]([F:20])[cH:18][cH:19]2)[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[CH3:24][CH:25]1[NH:26][CH:27]([CH3:31])[CH2:28][NH:29][CH2:30]1>>[CH2:2]([CH2:3][CH2:4][N:5]1[S:6](=[O:22])(=[O:23])[N:7]([c:14]2[cH:15][c:16]([F:21])[c:17]([F:20])[cH:18][cH:19]2)[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:29]1[CH2:28][CH:27]([CH3:31])[NH:26][CH:25]([CH3:24])[CH2:30]1

참가 물질

반응물 2

HCID 660562,6-Dimethylpiperazine

HCID 687126561-(3-Bromopropyl)-3-(3,4-difluorophenyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

생성물 1

HCID 578862951-(3,4-Difluorophenyl)-3-[3-(3,5-dimethylpiperazin-1-yl)propyl]-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

출처 및 근거

ORD 기록: ord-e189ef44e69e4b9bbc1b37e5021f2179
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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